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CHEBI:69589 - 30-nor-Hederagenin

ChEBI IDCHEBI:69589
ChEBI Name30-nor-Hederagenin
Stars
DefinitionA natural product found in Paeonia rockii subspecies rockii.
Last Modified22 September 2014
DownloadsMolfile
FormulaC29H44O4
Net Charge0
Average Mass456.667
Monoisotopic Mass456.32396
SMILES[H][C@]12CC=C3[C@]4([H])CC(=C)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O)[C@@]1(C)CO
InChIInChI=1S/C29H44O4/c1-18-8-13-29(24(32)33)15-14-27(4)19(20(29)16-18)6-7-22-25(2)11-10-23(31)26(3,17-30)21(25)9-12-28(22,27)5/h6,20-23,30-31H,1,7-17H2,2-5H3,(H,32,33)/t20-,21+,22+,23-,25-,26-,27+,28+,29-/m0/s1
InChIKeyFKUBIEWSGBVADJ-VZBPFLCRSA-N
Species of MetaboliteComponentSourceComments
Paeonia rockii subsp. rockii (ncbitaxon:459179) root (BTO:0001188) PubMed (21954959) Isolated from chloroform soluble extract of air-dried and powdered roots
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
30-nor-Hederagenin (CHEBI:69589) has role metabolite (CHEBI:25212)
30-nor-Hederagenin (CHEBI:69589) is a steroid (CHEBI:35341)
Citations